Vitas-M small molecule compound
3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Catalog ID
STK074742
SMILES N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(c2c1CCCC2)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H19ClN2OS MW 370.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2OS/c1-2-18-16-6-4-3-5-15(16)17(11-22)20(23-18)25-12-19(24)13-7-9-14(21)10-8-13/h7-10H,2-6,12H2,1H3InChIKey
SHTJVIIQMURCII-UHFFFAOYSA-NSynonyms
315247-23-53((2(4chlorophenyl)2oxoethyl)sulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
3((2(4chlorophenyl)2oxoethyl)thio)1ethyl5678tetrahydroisoquinoline4carbonitrile
3(2(4chlorophenyl)2oxoethyl)sulfanyl1ethyl5678tetrahydroisoquinoline4carbonitrile
315247235
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)Cl)C#N
InChI=1SC20H19ClN2OSc121816643515(16)17(1122)20(2318)251219(24)137914(21)10813h710H2612H21H3
MFCD01156915
N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(c2c1CCCC2)CC
STK074742
ZINC000000626137
ZINC00626137
ZINC626137
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